1ZYB

Crystal structure of transcription regulator from Bacteroides thetaiotaomicron VPI-5482 at 2.15 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-05
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979094, 0.918381
Spacegroup name	P 65 2 2
Unit cell lengths	115.980, 115.980, 119.639
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.200 - 2.150
Rwork	0.177
R-free	0.22800
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.406
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.910	29.910	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.088	0.032	0.766
Number of reflections	28282
<I/σ(I)>	6.4	16.3	1
Completeness [%]	99.9
Redundancy	6.8	5.6	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			273	4.0M NaFormate, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 273K